General Information of the Compound
| Compound ID |
CP0226477
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| Compound Name |
4-[[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]amino]benzonitrile
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| Structure |
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| Formula |
C23H27FN4O2
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| Molecular Weight |
410.493
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| Canonical SMILES |
COc1ccc(CN(CC(=O)N2CCC(CN)CC2)c2ccc(cc2)C#N)cc1F
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| InChI |
InChI=1S/C23H27FN4O2/c1-30-22-7-4-19(12-21(22)24)15-28(20-5-2-17(13-25)3-6-20)16-23(29)27-10-8-18(14-26)9-11-27/h2-7,12,18H,8-11,14-16,26H2,1H3
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| InChIKey |
XDSLEWVHSUVCPM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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